2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole

C20H17N3O2S — CID 2129277

IUPAC2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc2c(C)cc(SCc3nnc(-c4ccccc4)o3)nc2c1
InChIInChI=1S/C20H17N3O2S/c1-13-10-19(21-17-11-15(24-2)8-9-16(13)17)26-12-18-22-23-20(25-18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyKAFVKQBTFVSUFI-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.89
Rot. Bonds5

About 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole

2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 2129277) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID2129277
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc2c(C)cc(SCc3nnc(-c4ccccc4)o3)nc2c1
InChIInChI=1S/C20H17N3O2S/c1-13-10-19(21-17-11-15(24-2)8-9-16(13)17)26-12-18-22-23-20(25-18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyKAFVKQBTFVSUFI-UHFFFAOYSA-N
XLogP4.89
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 2129277) is 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is COc1ccc2c(C)cc(SCc3nnc(-c4ccccc4)o3)nc2c1.
What is the InChIKey of 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is KAFVKQBTFVSUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-10-19(21-17-11-15(24-2)8-9-16(13)17)26-12-18-22-23-20(25-18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 363.44 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 2129277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).